CID 294134

Piperonylamino-2-oxazoline

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1COC(=N1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H12N2O3/c1-2-9-10(16-7-15-9)5-8(1)6-13-11-12-3-4-14-11/h1-2,5H,3-4,6-7H2,(H,12,13)
InChIKey
NBWNWJCBQUUGFL-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 144.4
[M+Na]+ 243.07402 151.7
[M-H]- 219.07752 152.5
[M+NH4]+ 238.11862 161.4
[M+K]+ 259.04796 152.9
[M+H-H2O]+ 203.08206 138.5
[M+HCOO]- 265.08300 165.7
[M+CH3COO]- 279.09865 157.9
[M+Na-2H]- 241.05947 151.5
[M]+ 220.08425 146.3
[M]- 220.08535 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.